SCHEMBL8316191

SCHEMBL8316191

O=[N+]([O-])c1cccc2cc3c(cc12)OCO3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
MCL1 Q07820 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TDP1 Q9NUW8 3/20 0.48
PIM3 Q86V86 1/20 0.45
KDM4E B2RXH2 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TXNRD1 Q16881 1/20 0.44
TXNRD3 Q86VQ6 1/20 0.44
TXNRD2 Q9NNW7 1/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9735773 0.80 ALDH1A1 (0.69) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL9734521 0.79 ALDH1A1 (0.67) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL579426 0.75 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL30696914 0.75 ALDH1A1 (0.68) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL10163145 0.75 CDK2 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL426488 0.75 CDK2 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL718255 0.74 MAPT (0.74) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL423560 0.74 CTSB (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL5167844 0.74 ALDH1A1 (0.66) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL6257481 0.73 TXNRD1 (0.62) ALDH1A1MAPTMEN1KMT2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741917-B2 Benzo [C] phenanthridines as antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-06-03 US disclosed
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS RUGTERS, THE STATE UNIVERSITY OF NEW JERSEY 2012-01-26 US disclosed
EP-0487930-B1 Benzo[C]phenanthridinium derivatives NIPPON KAYAKU KK (JP) 1999-03-24 EP disclosed
US-5747502-A ANTITUMOR AGENTS, ANTIGROWTH AGENTS AND ANTICARCINOGENIC AGENTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-05-05 US disclosed
EP-0487930-A1 Process for preparing benzo[C]phenanthridinium derivatives, and novel compounds prepared by said process NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-06-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120022061-A1 BENZO [C] PHENANTHRIDINES AS ANTIMICROBIAL AGENTS CCNT1, XPO4, XDH ALDH1A1 3095/4885MAPT 4875/4885MEN1 1493/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.